REMARK Name = BDB000237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -1.549 -1.499 1.485 0.00 0.00 +0.234 C ATOM 2 N TYR A 2 -1.357 -1.143 0.165 0.00 0.00 -0.301 N ATOM 3 H TYR A 2 -0.447 -0.747 -0.049 0.00 0.00 +0.150 HD ATOM 4 O UNK A 1 -2.467 -2.227 1.854 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C UNK A 1 1.599 -1.378 1.635 0.00 0.00 +0.269 C ATOM 6 N UNK A 1 0.652 -0.390 1.881 0.00 0.00 -0.285 N ATOM 7 C UNK A 1 -0.643 -0.747 2.477 0.00 0.00 +0.162 C ATOM 8 C UNK A 1 -1.280 0.601 2.829 0.00 0.00 +0.033 C ATOM 9 C UNK A 1 -0.086 1.521 3.030 0.00 0.00 +0.021 C ATOM 10 C UNK A 1 0.908 1.039 1.985 0.00 0.00 +0.109 C ATOM 11 O UNK A 1 1.383 -2.550 1.942 0.00 0.00 -0.268 OA BRANCH 5 15 ATOM 12 C UNK A 1 4.318 0.083 -0.140 0.00 0.00 +0.213 A ATOM 13 O UNK A 1 4.866 -1.158 0.061 0.00 0.00 -0.445 OA ATOM 14 C UNK A 1 3.907 -1.836 0.746 0.00 0.00 +0.230 A ATOM 15 C UNK A 1 2.836 -0.996 0.957 0.00 0.00 +0.164 A ATOM 16 N UNK A 1 3.115 0.234 0.378 0.00 0.00 -0.207 NA BRANCH 12 18 ATOM 17 C UNK A 1 5.322 0.678 -2.345 0.00 0.00 +0.034 C ATOM 18 C UNK A 1 5.159 1.083 -0.882 0.00 0.00 +0.135 C BRANCH 18 19 ATOM 19 N UNK A 1 6.488 1.257 -0.269 0.00 0.00 -0.320 NA ATOM 20 H UNK A 1 6.949 0.345 -0.250 0.00 0.00 +0.119 HD ATOM 21 H UNK A 1 6.359 1.515 0.709 0.00 0.00 +0.119 HD ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 5 15 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 CA TYR A 2 -2.058 -1.829 -0.920 0.00 0.00 +0.186 C BRANCH 22 23 ATOM 23 C TYR A 2 -1.137 -2.923 -1.449 0.00 0.00 +0.326 C ATOM 24 O TYR A 2 0.085 -2.882 -1.485 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT TYR A 2 -1.802 -3.978 -1.960 0.00 0.00 -0.479 OA ATOM 26 HXT TYR A 2 -1.094 -4.605 -2.220 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 CB TYR A 2 -2.387 -0.877 -2.076 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 CG TYR A 2 -3.289 0.267 -1.669 0.00 0.00 -0.045 A ATOM 29 CD2 TYR A 2 -2.790 1.577 -1.609 0.00 0.00 +0.007 A ATOM 30 CE2 TYR A 2 -3.616 2.630 -1.214 0.00 0.00 +0.045 A ATOM 31 CZ TYR A 2 -4.940 2.378 -0.879 0.00 0.00 +0.117 A ATOM 32 CE1 TYR A 2 -5.456 1.088 -0.935 0.00 0.00 +0.045 A ATOM 33 CD1 TYR A 2 -4.630 0.034 -1.332 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 OH TYR A 2 -5.710 3.435 -0.495 0.00 0.00 -0.507 OA ATOM 35 HH TYR A 2 -6.601 3.107 -0.287 0.00 0.00 +0.292 HD ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 2 22 TORSDOF 10